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Information card for entry 7110208
Preview
Coordinates | 7110208.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 O5 |
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Calculated formula | C23 H28 O5 |
SMILES | O(C)c1ccc(C[C@@H]2C[C@@]3(CCCO3)O[C@H]2c2cc(c(cc2)OC)OC)cc1.O(C)c1ccc(C[C@H]2C[C@]3(CCCO3)O[C@@H]2c2cc(c(cc2)OC)OC)cc1 |
Title of publication | Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides |
Authors of publication | Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 472 |
a | 6.143 ± 0.014 Å |
b | 8.81 ± 0.02 Å |
c | 19.64 ± 0.04 Å |
α | 83.8 ± 0.02° |
β | 83.37 ± 0.02° |
γ | 76.77 ± 0.02° |
Cell volume | 1024 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1544 |
Residual factor for significantly intense reflections | 0.0963 |
Weighted residual factors for significantly intense reflections | 0.2607 |
Weighted residual factors for all reflections included in the refinement | 0.3259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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